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Table 18 Condensed information of various heterocyclic analogues as estrogen alpha receptor antagonists

From: Estrogen alpha receptor antagonists for the treatment of breast cancer: a review

Sr. No. Comp. Breast cancer cell lines/structural similarity IC50 values Reference drugs with IC50 value Molecular docking In vitro/vivo study Mechanism References
Diphenylmethane, Diphenylmethyelene, Diphenylheptane, Diphenyl amine analogs and triarylethylene analogs
1. 1 On ER-α 4.9 nM In presence of 0.5 nM 17β-estradiol Autodock program 4.2 In silico   Mauryama et al. [14]
2. 8 MCF-7 (62.2 nM) (E,Z) nor endofexin (10.22 ± 32.7) GOLD 3.0 In vitro Antagonize the PGR mRNA expression level Zhao et al. [16]
3. 2022   MCF-7 Tamoxifen, (> 50) CDOCKER docking algorithm In vitro Suppressed the expression of c-myc, MMP-9 and caveolin Kaur et al. [26]
20 11.4 ± 4.2 µM
21 16.9 ± 7.7 µM
22 12.2 ± 5.3 µM
4. 46 MCF-7 (450 nM) 17 β estradiol Molecular operating environment In vitro Suppression of ER alpha transcriptional activity Eto et al. [42]
5. 55 MCF-7 (1.3 ×10−7 M) Tamoxifen (2.1 × 10−6 M) In vitro Ohta et al. [46]
Coumarin analogs
6. 12 MCF-7, GI50 < 10 Tamoxifen (29.4 µg/ml) Glide v 5.8 In vitro Inhibit ER functional activity Mokale et al. [20]
7. 1314 MCF-7 Tamoxifen (11.35 ± 3.13 µM) Discover studies3.0/CDOCKER protocol In vitro Antagonistic confirmation as that of OHT Luo et al. [21]
13 4.52 ± 2.47
14 7.31 ± 2.12
Steriodal analogs
8. 16 MCF-7, 5.49 µM Tamoxifen (0.0075 µM) In vitro Alsayari et al. [23]
9. 5154 MCF-7 (nm) Tamoxifen (200 nm) Fulvestrant (2 nm) Insight II modeling software In silico Inhibitory activity for ER α transactivation Jiang et al. [45]
51 50
52 50
53 100
54 50
10. 18 18 MDA-MB-239) T47D Reservatol Computational docking modeling In vitro H–bonding interactions and tight binding with active sites of ER alpha Siddqui et al. [24]
a 21 µM 32 µM 66 µM
b 29 µM 44 µM 76 µM
11. 47 MCF-7 (6.8 ± 0.7 µM) Tamoxifen, 5.3 ± 0.6 µM DOCK 6.5 In vitro Inhibit ER transcriptional activity Kuzestnov et al. [43]
12. 5657 MCF-7 2-methoxy estradiol (6.01 µM) In vitro G2/M cell cycle arrest by disrupting normal microtubule functions Lao et al. [47]
56 2.73 µM
57 7.75 µM
Quinoline, Isoquinolne and Isoflavone analogs
13. 32 MCF-7, (11 µM) In vitro Bharatkumar et al. [34]
14. 28 MCF-7, (0.5 µM) Tamoxifen (13.9 µM) Discovery Studio2.5/CDOCK protocol In vitro ER-α and VGFR-α inhibitory activity Tang et al. [31]
15. 3335 Aromatase inhibitory activity Ketoconazole GOLD 5.0. In vitro Inhibitory activity against aromatase Bonfield et al. [35]
33 2.4 µM
34 0.26 µM
35 5.8 µM
16. 4345 MCF-7 Genistein (14 µM) eHiTS docking prgram In vitro Inhibiting ER α messenger RNA expression Marik et al. [41]
43 1.0 µM
44 0.8 µM
45 1.2 µM
17. 4850 MCF-7 (µg/ml) Tamoxifen (3.99 µg/ml) HYBRID V 3.01 In vitro Microtubule destabilizing agreement Suresh et al. [44]
48 0.2
49 0.61
50 0.2
Indole analogs
18. 36–37 T47D Bazedoxifene (16.43 ± 0.94 µM) Glide XP with vdW 0.8 In vitro Altering the m-RNA and ER-α receptor expression,thus inhibiting further transactivation and signaling Singla et al. [36]
36 16.51 ± 0.75 µM
37 17.94 ± 1.0 µM
19. 3839 T47D Bazedoxifene (16.43 ± 0.94 µM) Glide XP with vdW 0.8 In vitro Altered the mRNA and ER-α receptor protein expression, thus preventing the further transcriptional activation and signaling pathway Singla et al. [37]
38 4.99 ± 0.60 µM
39 15.48 ± 0.10 µM
20. 2324 MCF-7   Fred 3.0.1 In vitro Inducing apoptosis Kelley et al. [27]
23 2.7 µM Tamoxifen
24 1.8 µM Comberstatin
21. 41 MCF-7 Tamoxifen (OHT) GOLD 5.0.1 In vitro Inhibit ER transcription activity and gene expression Lappano et al. [39]
Furan derivatives and Bis(hydroxyphenyl) azoles
22. 9 MCF-7, (0.022 µM) Fulvestrant, (0.004 µM) In vitro Zimmermann et al. [17]
23. 10 MCF-7, (43.08 µM) Tamoxifen (12.35 µM) Schrodinger suite 2010 In vitro pipi conjugate interactins Li et al. [18]
24. 31 T47D, (0.31 µM) GOLD 3.0 In vitro Non steroidal inhibitors of 17β-HSD1 Bey et al. [33]
25. 42 ER alpha, (6.5 × 10−8 M) Tamoxifen In vitro Inhibit the trans criptonal activity of estradiol Mortensen et al [40]
26. 25 25 MCF-7 Tamoxifen (55.89 µM) In vitro Sun et al. [28]
a 90.63 µM
b 72.55 µM
27. 26 hER alpha   SYBYL 65.2    Stauffer et al. [29]
28. 2930 MCF-7 Doxorubicin (0.473 µM) In vitro By affecting interaction between ERE-ER alpha Kamal et al. [32]
29 1.76 µM
30 2.16 µM
Metal based analogs
29. 40 MCF-7, (0.50 µM) Cisplatin (16.1 µM) In vitro Perron et al. [38]
30. 58 MCF-7, (1.06 µM)   In vitro Inhibit histone deacetylase Marinero et al. [48]
Inverse agonist
31. 15 ERR alpha protein in MDA-MB-231breast Cancer cell line 0.64 ± 0.12 µM Sybyl x2.0 In vitro Inhibit ERR alpha transcriptional activity through PDK4, Osteopontin and pS2 Ning et al. [22]
Mice (MDA-MB-231,breast tumor xenografts) 42.02% inhibition Untreated growth tumor cell   In vivo